KQW

~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine

Created:	2019-06-18
Last modified:	2019-06-26

Find Related PDB Entry
1 entries where KQW is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	16

2D diagram of KQW

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
Formula	C₁₄ H₁₄ N₆
Molecular Weight	266.301
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C1CC1)c2nccc(n2)c3cnn4ncccc34
SMILES	OpenEye OEToolkits	2.0.7	CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4
Canonical SMILES	CACTVS	3.385	CN(C1CC1)c2nccc(n2)c3cnn4ncccc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(c1nccc(n1)c2cnn3c2cccn3)C4CC4
InChI	InChI	1.03	InChI=1S/C14H14N6/c1-19(10-4-5-10)14-15-8-6-12(18-14)11-9-17-20-13(11)3-2-7-16-20/h2-3,6-10H,4-5H2,1H3
InChIKey	InChI	1.03	OAIXSJCARVACKE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	10236275

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.